6-nitro-3-[3-(3-nitrophenyl)prop-2-enoyl]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
6-nitro-3-[3-(3-nitrophenyl)prop-2-enoyl]-2H-1-benzopyran-2-one
6-nitro-3-[3-(3-nitrophenyl)prop-2-enoyl]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | K229-0522 |
| Compound Name: | 6-nitro-3-[3-(3-nitrophenyl)prop-2-enoyl]-2H-1-benzopyran-2-one |
| Molecular Weight: | 366.28 |
| Molecular Formula: | C18 H10 N2 O7 |
| Smiles: | C(=C/c1cccc(c1)[N+]([O-])=O)\C(C1=Cc2cc(ccc2OC1=O)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5113 |
| logD: | 3.5113 |
| logSw: | -3.8449 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 100.898 |
| InChI Key: | HCPPFFHQSACVBP-UHFFFAOYSA-N |